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Hydroxylellestadite |
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Onac B P, Effenberger H, Ettinger K, Panzaru S P |
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American Mineralogist 91 (2006) 1927-1931 |
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Hydroxylellestadite from Cioclovina Cave (Romania): Microanalytical, |
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structural, and vibrational spectroscopy data |
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Locality: Cioclovina Cave, Sureanu Mountains, Romania |
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_database_code_amcsd 0004257 |
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9.496 9.496 6.920 90 90 120 P6_3/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 1/3 2/3 .00183 .02887 .0372 .0372 .0123 .0186 0 0 |
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Ca2 .24567 .99330 .25 .02440 .0276 .0281 .0173 .0138 0 0 |
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SiT .39939 .37013 .25 .42 .01300 .0147 .0133 .0120 .0077 0 0 |
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ST .39939 .37013 .25 .36 .01300 .0147 .0133 .0120 .0077 0 0 |
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PT .39939 .37013 .25 .22 .01300 .0147 .0133 .0120 .0077 0 0 |
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O1 .3276 .4848 .25 .0248 .0359 .0244 .0208 .0201 0 0 |
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O2 .5879 .4659 .25 .0263 .0186 .0193 .0387 .0077 0 0 |
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O3 .3460 .2592 .0696 .0328 .0521 .0305 .0244 .0271 -.0166 -.0070 |
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OHZ 0 0 .1975 .41 .0347 .0170 .0170 .070 .0085 0 0 |
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FZ 0 0 .1975 .045 .0347 .0170 .0170 .070 .0085 0 0 |
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ClZ 0 0 .1975 .035 .0347 .0170 .0170 .070 .0085 0 0 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Hydroxylellestadite |
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Hughes J M, Drexler J W |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 327-336 |
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Cation substitution in the apatite tetrahedral site: |
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crystal structures of type hydroxylellestadtite and type fermorite |
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Locality: Crestmore, California, USA |
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_database_code_amcsd 0014857 |
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9.5224 9.5268 6.9087 90 90 119.9483 P2_1/m |
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atom x y z occ Biso |
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Ca1 .33440 .66806 .0019 2.45 |
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Ca2a .0068 .2471 .25 .76 2.11 |
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Ca2a' .0049 .2780 .25 .24 2.0 |
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Ca2b .7516 .7591 .25 .76 2.20 |
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Ca2b' .7205 .7295 .25 .24 1.7 |
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Ca2c .2412 -.0057 .25 .76 2.02 |
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Ca2c' .2735 -.0074 .25 .24 1.7 |
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Si1 .6295 .0301 .25 .5 1.13 |
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S6+1 .6295 .0301 .25 .5 1.09 |
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Si2 -.0297 .5995 .25 .5 1.12 |
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S6+2 -.0297 .5995 .25 .5 1.12 |
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Si3 .4003 .3713 .25 .5 2.12 |
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S6+3 .4003 .3713 .25 .5 2.12 |
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O1a .3306 .4864 .25 2.17 |
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O1b .5145 .8442 .25 2.17 |
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O1c .1546 .6686 .25 2.19 |
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O2a .5872 .4650 .25 2.28 |
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O2b .5348 .1224 .25 2.10 |
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O2c .8786 .4134 .25 2.37 |
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O3a .3473 .2614 .0700 2.87 |
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O3b .7398 .0874 .0690 2.77 |
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O3c -.0863 .6520 .0694 2.85 |
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OH -.0047 -.0010 .210 .34 2.6 |
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F .004 -.003 .25 .08 1.9 |
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Cl .0040 .0003 .340 .12 2.7 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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